The Butanoic acid, 3-isothiocyanato-, ethyl ester, with the CAS registry number 206750-29-0, is also known as 3-Isothiocyanatobutyric acid ethyl ester. This chemical's molecular formula is C₇H₁₁NO₂S and molecular weight is 173.23. What's more, its systematic name is called Ethyl 3-isothiocyanatobutanoate. It should be kept in a cold and dry place.

Physical properties about Butanoic acid, 3-isothiocyanato-, ethyl ester are: (1) ACD/LogP: 2.09; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.09; (4) ACD/LogD (pH 7.4): 2.09; (5) ACD/BCF (pH 5.5): 22.66; (6) ACD/BCF (pH 7.4): 22.66; (7) ACD/KOC (pH 5.5): 324.89; (8) ACD/KOC (pH 7.4): 324.89; (9) #H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 5; (12) Polar Surface Area: 70.75 Å²; (13) Index of Refraction: 1.497; (14) Molar Refractivity: 47.05 cm³; (15) Molar Volume: 160.5 cm³; (16) Surface Tension: 32.3 dyne/cm; (17) Density: 1.07 g/cm³; (18)Flash Point: 106.6 °C; (19) Enthalpy of Vaporization: 49 kJ/mol; (20) Boiling Point: 252.7 °C at 760 mmHg; (21) Vapour Pressure: 0.0191 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. In addition, it is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)CC(/N=C=S)C
(2) InChI: InChI=1/C7H11NO2S/c1-3-10-7(9)4-6(2)8-5-11/h6H,3-4H2,1-2H3
(3) InChIKey: BJPWLYQGLIRJLZ-UHFFFAOYAC